#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zit s LYS 2 N 0.00 2.86 -0.11 2.12 -0.14 -1.26 -5.08 119.74 118.13 1zit s LYS 2 Ca 0.00 -0.79 -0.05 0.00 -1.36 0.00 0.00 55.97 53.76 1zit s LYS 2 Cb 0.00 -2.36 0.05 0.00 -1.68 0.00 0.00 37.83 33.84 1zit s LYS 2 CO 0.00 -0.06 0.25 1.03 -0.76 0.00 0.00 175.35 175.81 1zit s ARG 3 N 0.94 0.19 0.25 1.68 3.00 -1.26 0.79 118.95 124.55 1zit s ARG 3 Ca -0.05 0.58 0.07 0.00 0.00 0.00 0.00 55.73 56.33 1zit s ARG 3 Cb -0.15 -0.10 -0.05 0.00 0.00 0.00 0.00 34.95 34.64 1zit s ARG 3 CO -0.04 -0.19 -0.08 0.08 0.00 0.00 0.00 175.30 175.07 1zit s VAL 4 N 1.52 1.65 -0.06 3.52 1.01 -0.95 -3.92 120.40 123.18 1zit s VAL 4 Ca -0.07 -2.15 0.06 0.00 0.00 0.00 0.00 61.98 59.82 1zit s VAL 4 Cb -0.11 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 1zit s VAL 4 CO -0.09 -0.39 -0.23 -0.22 0.00 0.00 0.00 175.10 174.17 1zit s LEU 5 N -3.40 2.04 -0.12 3.92 2.96 0.17 -0.87 118.68 123.38 1zit s LEU 5 Ca 0.27 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 1zit s LEU 5 Cb 0.02 -1.29 0.00 0.00 0.50 0.00 0.00 46.19 45.43 1zit s LEU 5 CO 0.10 0.22 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.44 1zit s VAL 6 N -0.09 2.16 -0.14 1.68 1.01 0.19 0.37 120.40 125.59 1zit s VAL 6 Ca -0.05 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1zit s VAL 6 Cb -0.14 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.41 1zit s VAL 6 CO 0.04 0.55 -0.21 -0.69 0.00 0.00 0.00 175.10 174.78 1zit s VAL 7 N 0.51 2.13 -0.16 2.92 1.01 0.10 0.10 120.40 127.02 1zit s VAL 7 Ca -0.14 -0.96 -0.28 0.00 0.00 0.00 0.00 61.98 60.59 1zit s VAL 7 Cb -0.17 -1.85 0.08 0.00 0.00 0.00 0.00 36.38 34.44 1zit s VAL 7 CO 0.05 0.55 0.77 -0.62 0.00 0.00 0.00 175.10 175.85 1zit s ASP 8 N 0.74 -0.62 -0.80 3.32 2.15 -1.25 0.14 116.67 120.34 1zit s ASP 8 Ca -0.09 0.92 -0.02 0.00 0.43 0.00 0.00 52.55 53.78 1zit s ASP 8 Cb -0.16 0.83 0.27 0.00 -0.30 0.00 0.00 42.92 43.56 1zit s ASP 8 CO -0.00 -0.41 2.20 -0.67 -0.17 0.00 0.00 175.17 176.12 1zit n ASP 9 N 1.57 7.29 -3.57 -0.34 2.03 -1.24 -3.57 116.55 118.71 1zit n ASP 9 Ca -0.16 -3.64 0.00 0.00 0.52 0.00 0.00 54.79 51.52 1zit n ASP 9 Cb 0.56 -1.13 -0.06 0.00 -0.72 0.00 0.00 41.12 39.77 1zit n ASP 9 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1zit s GLU 10 N -3.41 0.22 0.61 -0.67 -1.05 -1.26 -4.54 118.70 108.60 1zit s GLU 10 Ca 0.52 0.41 0.00 0.00 -0.15 0.00 0.00 54.97 55.75 1zit s GLU 10 Cb 0.38 0.10 0.00 0.00 -0.44 0.00 0.00 34.13 34.17 1zit s GLU 10 CO -0.32 -0.05 0.00 -1.91 0.95 0.00 0.00 175.26 173.93 1zit n GLU 11 N 3.73 -3.25 0.01 -4.83 2.13 -1.26 -4.73 120.64 112.44 1zit n GLU 11 Ca -0.16 2.66 -0.01 0.00 0.66 0.00 0.00 57.16 60.32 1zit n GLU 11 Cb 0.56 -3.83 -0.00 0.00 0.27 0.00 0.00 31.44 28.44 1zit n GLU 11 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1zit h SER 12 N -1.44 -0.03 -2.28 4.31 0.02 -1.96 -3.46 113.55 108.72 1zit h SER 12 Ca -0.19 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.30 1zit h SER 12 Cb 1.35 0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.91 1zit h SER 12 CO 0.07 -0.02 -0.24 -0.63 -1.14 0.00 0.00 176.83 174.87 1zit s ILE 13 N -2.84 4.24 -0.08 3.27 -1.09 -1.26 -4.60 121.20 118.84 1zit s ILE 13 Ca -0.01 -0.76 -0.21 0.00 -2.23 0.00 0.00 60.65 57.45 1zit s ILE 13 Cb 0.00 -3.52 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 1zit s ILE 13 CO 0.02 -0.27 0.59 0.42 -1.23 0.00 0.00 174.94 174.46 1zit s THR 14 N -2.31 5.09 0.16 2.92 -4.23 -1.26 -5.01 115.64 111.00 1zit s THR 14 Ca 0.45 1.20 -0.33 0.00 -1.18 0.00 0.00 61.69 61.82 1zit s THR 14 Cb -0.10 -3.92 -0.15 0.00 1.34 0.00 0.00 72.50 69.66 1zit s THR 14 CO 0.34 0.31 1.27 -1.20 -0.54 0.00 0.00 174.62 174.80 1zit n SER 15 N 3.55 1.76 0.00 3.99 7.64 -1.26 -0.87 113.62 128.43 1zit n SER 15 Ca -0.05 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1zit n SER 15 Cb 0.51 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 1zit n SER 15 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1zit n SER 16 N 2.25 0.00 -0.01 6.43 7.64 -1.26 -4.41 113.62 124.26 1zit n SER 16 Ca 0.15 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.95 1zit n SER 16 Cb 0.25 -0.07 -0.07 0.00 -1.01 0.00 0.00 64.21 63.31 1zit n SER 16 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1zit h LEU 17 N 0.00 -0.09 -0.26 -3.43 6.46 -1.28 -3.15 115.31 113.56 1zit h LEU 17 Ca 0.00 -0.43 0.03 0.00 -0.12 0.00 0.00 57.88 57.36 1zit h LEU 17 Cb 0.00 0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 39.90 1zit h LEU 17 CO 0.00 0.57 -0.32 -1.28 -0.62 0.00 0.00 178.44 176.79 1zit h SER 18 N -0.94 -1.09 -0.97 1.25 0.87 -1.88 0.13 113.55 110.92 1zit h SER 18 Ca -0.01 0.14 0.23 0.00 -1.23 0.00 0.00 61.79 60.92 1zit h SER 18 Cb 0.52 0.45 -0.12 0.00 -0.44 0.00 0.00 62.40 62.81 1zit h SER 18 CO 0.02 -0.22 0.54 0.00 -0.53 0.00 0.00 176.83 176.64 1zit h ALA 19 N -0.55 1.66 0.21 6.23 0.00 -1.92 0.83 119.26 125.73 1zit h ALA 19 Ca 0.05 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1zit h ALA 19 Cb 0.33 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1zit h ALA 19 CO -0.36 -0.24 -0.10 0.82 0.00 0.00 0.00 179.25 179.37 1zit h ILE 20 N 0.57 0.00 -1.05 0.00 2.04 -1.01 -1.67 117.51 116.39 1zit h ILE 20 Ca 0.61 -0.04 0.30 0.00 1.00 0.00 0.00 64.86 66.73 1zit h ILE 20 Cb 1.11 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1zit h ILE 20 CO -0.47 0.00 0.74 -0.07 0.00 0.00 0.00 178.15 178.35 1zit h LEU 21 N -0.32 0.08 -1.06 1.44 3.38 -0.51 1.04 115.31 119.36 1zit h LEU 21 Ca -0.03 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1zit h LEU 21 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1zit h LEU 21 CO 0.05 0.02 -0.40 -0.08 0.09 0.00 0.00 178.44 178.12 1zit h GLU 22 N 0.07 0.00 0.11 1.13 4.81 -0.70 0.34 114.58 120.35 1zit h GLU 22 Ca 0.52 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.46 1zit h GLU 22 Cb 1.91 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.29 1zit h GLU 22 CO -0.06 0.40 -1.39 1.49 -0.73 0.00 0.00 179.01 178.72 1zit h GLU 23 N 0.00 0.24 0.16 1.92 4.81 0.20 -3.34 114.58 118.58 1zit h GLU 23 Ca -0.00 -0.40 -0.29 0.00 -0.13 0.00 0.00 59.36 58.53 1zit h GLU 23 Cb 0.84 0.15 0.01 0.00 0.63 0.00 0.00 28.75 30.38 1zit h GLU 23 CO 0.05 1.13 -1.33 0.93 -0.73 0.00 0.00 179.01 179.06 1zit h GLU 24 N 0.06 0.34 -0.65 1.92 4.39 -1.09 -3.49 114.58 116.07 1zit h GLU 24 Ca -0.19 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 58.94 1zit h GLU 24 Cb 1.98 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.85 1zit h GLU 24 CO 0.17 1.27 0.00 0.41 -1.16 0.00 0.00 179.01 179.70 1zit n GLY 25 N 1.59 0.49 1.84 -3.84 0.00 0.11 -5.09 105.19 100.30 1zit n GLY 25 Ca -0.11 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 1zit n GLY 25 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1zit n TYR 26 N -0.34 -2.05 -3.54 1.61 4.02 -0.79 -4.72 117.16 111.35 1zit n TYR 26 Ca 0.00 -1.05 -0.27 0.00 -0.01 0.00 0.00 57.90 56.57 1zit n TYR 26 Cb 0.17 -0.24 -0.10 0.00 -0.02 0.00 0.00 39.34 39.14 1zit n TYR 26 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 1zit n HIS 27 N -1.41 1.28 -3.09 -0.72 -0.00 0.24 -4.90 115.22 106.61 1zit n HIS 27 Ca 0.04 -3.82 -0.37 0.00 0.46 0.00 0.00 57.72 54.03 1zit n HIS 27 Cb 0.29 -0.25 -0.06 0.00 -0.12 0.00 0.00 29.99 29.85 1zit n HIS 27 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1zit s PRO 28 N -1.03 4.32 -0.15 1.57 0.04 -1.26 -2.23 135.00 136.27 1zit s PRO 28 Ca 0.31 0.92 0.01 0.00 0.04 0.00 0.00 61.00 62.28 1zit s PRO 28 Cb 0.05 -3.02 0.02 0.00 0.04 0.00 0.00 34.50 31.58 1zit s PRO 28 CO -0.15 0.47 -0.15 0.34 0.04 0.00 0.00 177.00 177.55 1zit s ASP 29 N -1.45 2.76 -0.12 6.66 -1.08 -0.05 -4.93 116.67 118.46 1zit s ASP 29 Ca 0.39 -0.51 -0.06 0.00 -0.52 0.00 0.00 52.55 51.84 1zit s ASP 29 Cb -0.19 -1.23 -0.04 0.00 -1.46 0.00 0.00 42.92 40.00 1zit s ASP 29 CO 0.22 -0.04 0.12 0.42 0.52 0.00 0.00 175.17 176.41 1zit s THR 30 N 1.42 5.37 0.00 1.71 -4.23 -1.26 0.53 115.64 119.18 1zit s THR 30 Ca 0.04 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 1zit s THR 30 Cb -0.13 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.38 1zit s THR 30 CO -0.11 0.62 0.00 0.00 -0.54 0.00 0.00 174.62 174.59 1zit n ALA 31 N 2.02 0.00 -0.17 3.99 0.00 0.28 -4.94 120.51 121.70 1zit n ALA 31 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1zit n ALA 31 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1zit n ALA 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1zit n LYS 32 N -0.25 1.37 -2.06 0.00 5.02 -1.23 -3.97 118.16 117.03 1zit n LYS 32 Ca 0.00 -0.03 -0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1zit n LYS 32 Cb 0.00 -0.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.76 1zit n LYS 32 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1zit n THR 33 N -0.21 0.00 0.09 -0.18 -1.04 -1.26 -3.72 114.28 107.97 1zit n THR 33 Ca 0.00 -0.11 -0.04 0.00 -2.04 0.00 0.00 64.05 61.86 1zit n THR 33 Cb 0.04 0.17 -0.03 0.00 -1.82 0.00 0.00 70.33 68.69 1zit n THR 33 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1zit h LEU 34 N 0.00 0.00 -0.13 -4.42 3.38 -1.93 -2.28 115.31 109.93 1zit h LEU 34 Ca -0.06 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.72 1zit h LEU 34 Cb 0.27 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.03 1zit h LEU 34 CO 0.08 0.81 -0.66 -0.09 0.09 0.00 0.00 178.44 178.68 1zit h ARG 35 N 0.00 0.67 -0.22 1.13 1.12 -1.97 -0.34 114.38 114.78 1zit h ARG 35 Ca -0.01 -0.55 -0.09 0.00 -1.11 0.00 0.00 59.98 58.22 1zit h ARG 35 Cb 1.56 0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 31.62 1zit h ARG 35 CO 0.11 1.17 -0.27 0.93 -3.11 0.00 0.00 179.97 178.79 1zit h GLU 36 N 0.35 0.42 0.08 0.20 4.39 -1.94 -2.73 114.58 115.34 1zit h GLU 36 Ca -0.05 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.49 1zit h GLU 36 Cb 1.30 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1zit h GLU 36 CO 0.14 0.66 -0.04 0.00 -1.16 0.00 0.00 179.01 178.61 1zit h ALA 37 N 1.35 -0.11 -0.84 3.43 0.00 -1.36 -2.76 119.26 118.97 1zit h ALA 37 Ca 0.05 -0.28 0.21 0.00 0.00 0.00 0.00 54.91 54.89 1zit h ALA 37 Cb 0.67 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.37 1zit h ALA 37 CO 0.05 -0.22 0.20 0.93 0.00 0.00 0.00 179.25 180.21 1zit h GLU 38 N -0.78 0.21 0.34 0.00 5.08 -1.04 0.95 114.58 119.34 1zit h GLU 38 Ca -0.01 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1zit h GLU 38 Cb 0.60 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1zit h GLU 38 CO 0.02 0.14 -0.16 -0.22 -1.00 0.00 0.00 179.01 177.78 1zit h LYS 39 N 0.21 -0.43 0.00 2.33 3.11 -1.54 1.17 116.57 121.43 1zit h LYS 39 Ca 0.51 0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 58.37 1zit h LYS 39 Cb 0.98 0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 32.31 1zit h LYS 39 CO -0.63 -0.28 -0.04 0.87 -2.81 0.00 0.00 179.45 176.57 1zit h LYS 40 N -0.47 0.00 0.00 1.90 1.79 -0.44 -1.47 116.57 117.89 1zit h LYS 40 Ca -0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1zit h LYS 40 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1zit h LYS 40 CO 0.08 0.04 -1.17 -0.89 -1.08 0.00 0.00 179.45 176.42 1zit n ILE 41 N -3.61 0.12 1.38 1.86 5.41 0.30 -2.14 119.36 122.69 1zit n ILE 41 Ca -0.02 -0.25 0.14 0.00 1.00 0.00 0.00 62.75 63.62 1zit n ILE 41 Cb 0.13 0.29 0.73 0.00 -0.71 0.00 0.00 39.64 40.08 1zit n ILE 41 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1zit n LYS 42 N -1.95 0.44 0.00 0.38 0.00 0.40 -4.33 118.16 113.10 1zit n LYS 42 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 58.31 58.34 1zit n LYS 42 Cb 0.44 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.97 1zit n LYS 42 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1zit n GLU 43 N -1.27 0.00 -2.45 1.64 1.02 -1.22 -5.05 120.64 113.32 1zit n GLU 43 Ca 0.14 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.85 1zit n GLU 43 Cb 0.22 -0.08 -0.02 0.00 -0.02 0.00 0.00 31.44 31.53 1zit n GLU 43 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1zit s LEU 44 N -5.12 3.95 -1.15 -4.62 1.98 -0.91 -4.91 118.68 107.90 1zit s LEU 44 Ca 0.00 1.29 -0.12 0.00 -2.89 0.00 0.00 54.13 52.41 1zit s LEU 44 Cb 0.00 -3.54 -0.07 0.00 0.66 0.00 0.00 46.19 43.24 1zit s LEU 44 CO 0.00 -0.98 2.29 0.33 -1.89 0.00 0.00 176.35 176.10 1zit n PHE 45 N 7.30 2.13 -1.67 5.38 7.35 -1.26 -4.45 117.46 132.23 1zit n PHE 45 Ca 0.14 -2.38 -0.44 0.00 -0.76 0.00 0.00 57.45 54.01 1zit n PHE 45 Cb 0.46 -2.04 -0.04 0.00 0.35 0.00 0.00 39.48 38.22 1zit n PHE 45 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1zit n PHE 46 N 5.15 2.49 0.01 -5.13 3.72 -1.26 -4.90 117.46 117.53 1zit n PHE 46 Ca 0.55 -0.18 -0.13 0.00 -0.05 0.00 0.00 57.45 57.64 1zit n PHE 46 Cb 0.26 -2.74 -0.09 0.00 -0.94 0.00 0.00 39.48 35.98 1zit n PHE 46 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1zit h PRO 47 N 9.41 -0.00 -5.24 -1.08 0.11 -1.92 -3.43 132.00 129.85 1zit h PRO 47 Ca -0.48 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 64.96 1zit h PRO 47 Cb 1.24 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.05 1zit h PRO 47 CO 0.94 0.30 -0.82 0.08 -0.21 0.00 0.00 178.00 178.30 1zit s VAL 48 N -4.98 2.58 -0.15 3.15 1.01 -1.25 0.11 120.40 120.88 1zit s VAL 48 Ca -0.15 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 1zit s VAL 48 Cb 0.03 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 1zit s VAL 48 CO 0.67 0.53 -0.11 -0.63 0.00 0.00 0.00 175.10 175.55 1zit s ILE 49 N 0.64 3.09 -0.28 2.22 -1.09 0.22 0.46 121.20 126.47 1zit s ILE 49 Ca -0.09 -0.63 0.02 0.00 -2.23 0.00 0.00 60.65 57.71 1zit s ILE 49 Cb -0.16 -2.32 0.08 0.00 -1.58 0.00 0.00 42.46 38.48 1zit s ILE 49 CO 0.02 0.51 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.54 1zit s VAL 50 N 0.60 1.72 0.09 2.92 1.01 0.16 -1.76 120.40 125.15 1zit s VAL 50 Ca -0.07 -1.60 -0.10 0.00 0.00 0.00 0.00 61.98 60.21 1zit s VAL 50 Cb -0.15 -2.08 -0.06 0.00 0.00 0.00 0.00 36.38 34.09 1zit s VAL 50 CO 0.03 -0.31 0.43 -0.22 0.00 0.00 0.00 175.10 175.03 1zit s LEU 51 N 1.26 4.34 0.54 3.92 2.96 -1.26 0.02 118.68 130.46 1zit s LEU 51 Ca 0.00 0.83 0.05 0.00 -0.22 0.00 0.00 54.13 54.80 1zit s LEU 51 Cb -0.19 -3.05 0.04 0.00 0.50 0.00 0.00 46.19 43.49 1zit s LEU 51 CO -0.09 0.15 0.39 -0.62 -1.32 0.00 0.00 176.35 174.85 1zit s ASP 52 N -1.79 4.60 -0.31 3.68 2.15 0.37 -0.50 116.67 124.86 1zit s ASP 52 Ca 0.34 -1.27 0.17 0.00 0.43 0.00 0.00 52.55 52.22 1zit s ASP 52 Cb -0.14 0.44 0.45 0.00 -0.30 0.00 0.00 42.92 43.37 1zit s ASP 52 CO 0.18 -1.10 1.27 1.33 -0.17 0.00 0.00 175.17 176.69 1zit n VAL 53 N -1.74 0.62 0.00 1.11 0.24 -1.26 -4.82 118.33 112.48 1zit n VAL 53 Ca -0.03 -2.09 0.00 0.00 -2.04 0.00 0.00 64.34 60.18 1zit n VAL 53 Cb 0.64 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 34.08 1zit n VAL 53 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 1zit n TRP 54 N -0.85 0.00 -2.70 6.34 -0.00 -1.26 -4.73 117.44 114.23 1zit n TRP 54 Ca -0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.39 1zit n TRP 54 Cb 0.84 0.00 0.07 0.00 -0.00 0.00 0.00 31.31 32.22 1zit n TRP 54 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 177.69 177.57 1zit n MET 55 N 0.00 1.15 0.00 5.87 0.00 -1.26 -4.95 117.12 117.94 1zit n MET 55 Ca 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 57.70 55.13 1zit n MET 55 Cb 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 33.22 32.50 1zit n MET 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1zit n PRO 56 N -0.27 -0.16 -2.76 2.12 -0.04 -1.26 -5.04 135.00 127.59 1zit n PRO 56 Ca 0.04 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.50 1zit n PRO 56 Cb 0.82 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.35 1zit n PRO 56 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1zit n ASP 57 N -2.49 0.74 -0.57 3.54 8.00 -1.26 -4.87 116.55 119.65 1zit n ASP 57 Ca 0.00 -2.07 0.01 0.00 0.71 0.00 0.00 54.79 53.43 1zit n ASP 57 Cb 0.00 -0.16 0.01 0.00 -0.02 0.00 0.00 41.12 40.94 1zit n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1zit n GLY 58 N -0.83 0.70 7.00 0.44 0.00 -1.26 -5.14 105.19 106.11 1zit n GLY 58 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1zit n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zit n ASP 59 N -0.01 -2.56 0.00 1.61 9.92 -1.26 -4.91 116.55 119.34 1zit n ASP 59 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 1zit n ASP 59 Cb 0.74 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.22 1zit n ASP 59 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1zit n GLY 60 N 0.00 0.20 0.31 0.44 0.00 -1.26 -4.93 105.19 99.95 1zit n GLY 60 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 46.02 45.92 1zit n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1zit h VAL 61 N 0.00 1.02 0.00 1.61 2.07 -1.92 0.11 116.25 119.14 1zit h VAL 61 Ca 0.00 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1zit h VAL 61 Cb 0.00 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1zit h VAL 61 CO 0.00 0.17 -0.01 -0.55 0.02 0.00 0.00 177.57 177.20 1zit h ASN 62 N 0.91 0.00 0.73 0.57 7.08 -1.92 -2.69 115.58 120.26 1zit h ASN 62 Ca 0.37 0.00 -0.26 0.00 -3.08 0.00 0.00 56.30 53.33 1zit h ASN 62 Cb 0.20 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.43 1zit h ASN 62 CO -0.18 0.01 -1.20 0.15 -2.08 0.00 0.00 177.43 174.13 1zit h PHE 63 N 0.00 0.32 -1.20 4.14 3.57 -1.16 -3.29 116.94 119.33 1zit h PHE 63 Ca -0.00 -0.24 0.35 0.00 3.53 0.00 0.00 57.97 61.61 1zit h PHE 63 Cb 0.42 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 1zit h PHE 63 CO 0.00 1.19 0.91 0.82 -2.23 0.00 0.00 178.31 179.01 1zit h ILE 64 N 0.05 0.33 -0.01 1.41 1.08 -1.01 0.20 117.51 119.56 1zit h ILE 64 Ca -0.11 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.30 1zit h ILE 64 Cb 1.91 0.35 0.00 0.00 -3.07 0.00 0.00 36.82 36.02 1zit h ILE 64 CO 0.17 0.00 -0.24 0.44 -0.69 0.00 0.00 178.15 177.84 1zit h ASP 65 N 0.00 0.23 -0.88 1.72 5.19 -1.72 -3.15 116.42 117.81 1zit h ASP 65 Ca 0.57 -0.75 0.19 0.00 -0.62 0.00 0.00 57.03 56.42 1zit h ASP 65 Cb 2.39 -0.07 -0.11 0.00 0.18 0.00 0.00 39.33 41.72 1zit h ASP 65 CO -0.01 0.94 0.42 0.15 -3.12 0.00 0.00 179.24 177.63 1zit h PHE 66 N -0.46 0.73 -0.58 4.55 3.04 -0.76 1.32 116.94 124.78 1zit h PHE 66 Ca -0.03 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 1zit h PHE 66 Cb 0.97 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 39.27 1zit h PHE 66 CO 0.17 0.07 0.36 0.82 -2.02 0.00 0.00 178.31 177.71 1zit h ILE 67 N 0.52 1.17 0.00 1.41 5.03 -1.53 -1.58 117.51 122.52 1zit h ILE 67 Ca 0.52 -0.35 0.00 0.00 -0.12 0.00 0.00 64.86 64.91 1zit h ILE 67 Cb 0.87 0.35 0.00 0.00 -3.03 0.00 0.00 36.82 35.02 1zit h ILE 67 CO -0.45 0.17 -0.03 0.07 -0.68 0.00 0.00 178.15 177.23 1zit h LYS 68 N 0.78 0.00 -0.09 2.37 5.09 -0.79 0.30 116.57 124.23 1zit h LYS 68 Ca 0.21 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.89 1zit h LYS 68 Cb -0.04 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.29 1zit h LYS 68 CO -0.04 0.00 -0.19 1.49 -2.09 0.00 0.00 179.45 178.62 1zit h GLU 69 N 0.00 0.29 -0.21 0.07 4.81 0.25 -3.12 114.58 116.66 1zit h GLU 69 Ca 0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1zit h GLU 69 Cb 0.87 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.28 1zit h GLU 69 CO 0.00 0.78 0.00 0.27 -0.73 0.00 0.00 179.01 179.33 1zit n ASN 70 N -4.55 2.50 -2.86 1.04 0.23 -0.68 -4.73 115.26 106.21 1zit n ASN 70 Ca -0.07 -1.84 -0.12 0.00 -0.53 0.00 0.00 54.58 52.01 1zit n ASN 70 Cb 0.40 -0.14 0.04 0.00 -2.08 0.00 0.00 39.78 38.00 1zit n ASN 70 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1zit n SER 71 N 0.37 -1.81 0.14 0.53 7.64 0.10 -4.97 113.62 115.63 1zit n SER 71 Ca 0.08 -3.32 0.13 0.00 1.01 0.00 0.00 58.87 56.77 1zit n SER 71 Cb 0.35 1.21 0.45 0.00 -1.01 0.00 0.00 64.21 65.22 1zit n SER 71 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1zit h PRO 72 N 3.54 0.00 -0.00 1.43 0.11 -1.65 -2.86 132.00 132.56 1zit h PRO 72 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1zit h PRO 72 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1zit h PRO 72 CO 0.30 0.00 -0.83 -3.47 -0.21 0.00 0.00 178.00 173.79 1zit n ASP 73 N -2.39 0.97 -2.77 -2.05 -0.08 -1.26 -4.95 116.55 104.01 1zit n ASP 73 Ca 0.03 -0.87 -0.12 0.00 -1.51 0.00 0.00 54.79 52.33 1zit n ASP 73 Cb 0.34 0.77 0.08 0.00 2.34 0.00 0.00 41.12 44.65 1zit n ASP 73 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1zit n SER 74 N -1.36 0.05 -4.44 1.67 2.88 -1.08 -4.75 113.62 106.59 1zit n SER 74 Ca 0.05 -1.20 -0.25 0.00 -1.33 0.00 0.00 58.87 56.14 1zit n SER 74 Cb 0.34 -0.41 -0.11 0.00 -0.75 0.00 0.00 64.21 63.29 1zit n SER 74 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1zit s VAL 75 N -2.14 2.36 -0.36 2.46 1.01 0.31 -4.94 120.40 119.09 1zit s VAL 75 Ca 0.30 -2.21 0.01 0.00 0.00 0.00 0.00 61.98 60.08 1zit s VAL 75 Cb -0.01 -2.19 0.15 0.00 0.00 0.00 0.00 36.38 34.33 1zit s VAL 75 CO 0.21 -0.28 0.28 -0.69 0.00 0.00 0.00 175.10 174.63 1zit s VAL 76 N -2.14 -0.04 -0.07 2.92 1.01 -1.24 0.72 120.40 121.56 1zit s VAL 76 Ca 0.25 -1.48 -0.23 0.00 0.00 0.00 0.00 61.98 60.53 1zit s VAL 76 Cb -0.06 -0.94 -0.30 0.00 0.00 0.00 0.00 36.38 35.08 1zit s VAL 76 CO 0.12 -0.84 0.85 0.40 0.00 0.00 0.00 175.10 175.62 1zit h ILE 77 N 5.00 1.52 -5.21 2.22 1.08 -1.63 0.85 117.51 121.33 1zit h ILE 77 Ca 0.07 -2.50 0.01 0.00 -0.39 0.00 0.00 64.86 62.04 1zit h ILE 77 Cb 1.00 3.19 -0.09 0.00 -3.07 0.00 0.00 36.82 37.85 1zit h ILE 77 CO 0.24 0.70 -1.17 0.52 -0.69 0.00 0.00 178.15 177.74 1zit n VAL 78 N -4.19-10.09 -4.23 1.67 0.31 -1.26 -4.08 118.33 96.46 1zit n VAL 78 Ca -0.14 2.17 -0.17 0.00 -0.01 0.00 0.00 64.34 66.19 1zit n VAL 78 Cb 0.78 -5.51 -0.13 0.00 -0.91 0.00 0.00 33.84 28.06 1zit n VAL 78 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1zit s ILE 79 N -0.50 0.79 0.06 2.52 1.01 0.34 -4.03 121.20 121.39 1zit s ILE 79 Ca -0.20 -0.85 -0.27 0.00 0.00 0.00 0.00 60.65 59.33 1zit s ILE 79 Cb 0.01 -0.74 0.09 0.00 0.01 0.00 0.00 42.46 41.82 1zit s ILE 79 CO 0.54 -0.08 0.90 -0.89 0.00 0.00 0.00 174.94 175.40 1zit s THR 80 N -0.84 0.00 -0.24 2.92 2.01 -1.26 -4.02 115.64 114.20 1zit s THR 80 Ca -0.02 -0.24 0.10 0.00 0.31 0.00 0.00 61.69 61.84 1zit s THR 80 Cb -0.07 -1.36 0.44 0.00 0.01 0.00 0.00 72.50 71.51 1zit s THR 80 CO 0.01 0.00 1.20 0.61 -0.69 0.00 0.00 174.62 175.75 1zit n GLY 81 N -0.33 5.57 3.04 4.40 0.00 -1.26 -4.74 105.19 111.87 1zit n GLY 81 Ca -0.08 -1.90 -0.02 0.00 0.00 0.00 0.00 46.02 44.02 1zit n GLY 81 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1zit s HIS 82 N -3.35 -1.45 0.00 1.61 3.76 -1.26 -5.06 115.29 109.54 1zit s HIS 82 Ca 0.43 0.82 0.00 0.00 -0.15 0.00 0.00 55.06 56.16 1zit s HIS 82 Cb 0.39 0.13 0.00 0.00 1.11 0.00 0.00 32.58 34.21 1zit s HIS 82 CO -0.02 -1.01 0.00 0.41 -0.85 0.00 0.00 174.74 173.26 1zit n GLY 83 N 5.39 -0.84 3.60 -2.22 0.00 -1.26 -4.71 105.19 105.15 1zit n GLY 83 Ca 0.02 0.44 -0.05 0.00 0.00 0.00 0.00 46.02 46.43 1zit n GLY 83 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1zit s SER 84 N -4.00 -0.17 0.58 1.61 0.15 -1.26 -5.01 113.70 105.59 1zit s SER 84 Ca 0.00 0.12 0.27 0.00 0.70 0.00 0.00 55.95 57.04 1zit s SER 84 Cb 0.00 0.16 1.65 0.00 -1.71 0.00 0.00 66.02 66.11 1zit s SER 84 CO 0.00 -0.21 2.14 1.62 1.20 0.00 0.00 173.24 177.99 1zit h VAL 85 N 2.16 0.56 0.00 4.45 3.04 -2.02 0.87 116.25 125.32 1zit h VAL 85 Ca -0.12 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 1zit h VAL 85 Cb 1.17 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 1zit h VAL 85 CO 0.25 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.28 1zit n ASP 86 N -3.93 0.42 0.08 3.17 9.92 -1.26 -2.28 116.55 122.67 1zit n ASP 86 Ca 0.00 0.61 -0.17 0.00 -0.53 0.00 0.00 54.79 54.70 1zit n ASP 86 Cb 0.25 -0.69 -0.14 0.00 -0.64 0.00 0.00 41.12 39.89 1zit n ASP 86 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1zit h THR 87 N 0.00 1.29 0.69 -3.53 1.03 -1.19 -3.05 112.91 108.15 1zit h THR 87 Ca 0.00 -2.90 -0.03 0.00 -0.01 0.00 0.00 66.41 63.47 1zit h THR 87 Cb 0.31 2.84 0.00 0.00 -1.07 0.00 0.00 68.15 70.23 1zit h THR 87 CO 0.00 0.84 -0.38 0.00 -0.01 0.00 0.00 175.52 175.98 1zit h ALA 88 N 0.53 -1.00 -0.06 0.00 0.00 -1.53 -1.96 119.26 115.24 1zit h ALA 88 Ca -0.20 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.52 1zit h ALA 88 Cb 2.00 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 20.23 1zit h ALA 88 CO 0.18 -1.07 0.08 -0.39 0.00 0.00 0.00 179.25 178.05 1zit h VAL 89 N -0.99 0.42 -0.49 0.00 -1.51 -1.69 0.65 116.25 112.65 1zit h VAL 89 Ca -0.09 0.00 -0.33 0.00 -1.23 0.00 0.00 66.70 65.05 1zit h VAL 89 Cb 0.78 0.93 -0.14 0.00 -2.13 0.00 0.00 31.29 30.73 1zit h VAL 89 CO 0.12 0.00 0.43 1.17 -1.23 0.00 0.00 177.57 178.06 1zit n LYS 90 N -3.70 1.82 0.00 5.19 4.81 -0.74 -3.53 118.16 122.01 1zit n LYS 90 Ca -0.01 -1.60 0.00 0.00 -0.87 0.00 0.00 58.31 55.82 1zit n LYS 90 Cb 0.17 -1.63 0.00 0.00 0.02 0.00 0.00 35.03 33.59 1zit n LYS 90 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1zit n ALA 91 N 0.31 0.00 0.17 3.14 0.00 -0.68 -4.62 120.51 118.84 1zit n ALA 91 Ca 0.31 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.78 1zit n ALA 91 Cb 0.58 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.33 1zit n ALA 91 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1zit h ILE 92 N 0.00 1.13 -0.37 0.00 3.07 -1.05 -2.69 117.51 117.61 1zit h ILE 92 Ca 0.00 -1.67 0.00 0.00 1.55 0.00 0.00 64.86 64.74 1zit h ILE 92 Cb 0.00 1.95 0.00 0.00 -0.27 0.00 0.00 36.82 38.50 1zit h ILE 92 CO 0.00 0.45 0.00 0.29 -1.05 0.00 0.00 178.15 177.84 1zit n LYS 93 N -3.72 3.45 0.00 0.16 4.01 -1.23 -3.41 118.16 117.42 1zit n LYS 93 Ca -0.01 -1.99 0.00 0.00 -0.51 0.00 0.00 58.31 55.80 1zit n LYS 93 Cb 0.52 -1.98 0.00 0.00 -0.51 0.00 0.00 35.03 33.06 1zit n LYS 93 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1zit n LYS 94 N 0.40 -0.38 0.00 1.97 3.00 -1.02 -4.97 118.16 117.16 1zit n LYS 94 Ca 0.18 -0.36 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 1zit n LYS 94 Cb 0.84 -0.85 0.00 0.00 0.00 0.00 0.00 35.03 35.02 1zit n LYS 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1zit n GLY 95 N 0.05 0.01 0.00 3.14 0.00 -1.24 -4.85 105.19 102.30 1zit n GLY 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1zit n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zit n ALA 96 N 0.00 0.00 -1.40 4.61 0.00 -1.18 -4.69 120.51 117.85 1zit n ALA 96 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1zit n ALA 96 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 1zit n ALA 96 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1zit n TYR 97 N -1.30 0.53 -0.06 0.00 9.36 0.29 -4.84 117.16 121.15 1zit n TYR 97 Ca 0.00 -1.40 0.00 0.00 3.32 0.00 0.00 57.90 59.82 1zit n TYR 97 Cb 0.00 -0.34 0.00 0.00 -0.63 0.00 0.00 39.34 38.37 1zit n TYR 97 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1zit n GLU 98 N -1.11 -0.18 -2.08 2.98 -0.00 -1.26 -4.87 120.64 114.12 1zit n GLU 98 Ca 0.25 0.13 -0.42 0.00 -0.00 0.00 0.00 57.16 57.12 1zit n GLU 98 Cb 0.84 -0.15 -0.03 0.00 -0.00 0.00 0.00 31.44 32.10 1zit n GLU 98 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1zit s PHE 99 N -2.26 3.10 -0.46 -1.84 0.40 -1.26 -4.74 117.98 110.92 1zit s PHE 99 Ca 0.00 0.80 -0.28 0.00 -0.60 0.00 0.00 56.93 56.85 1zit s PHE 99 Cb 0.00 -3.77 -0.01 0.00 0.51 0.00 0.00 43.02 39.75 1zit s PHE 99 CO 0.00 -2.81 1.67 -1.17 0.70 0.00 0.00 175.22 173.61 1zit s LEU 100 N 1.32 3.45 -1.33 -0.37 1.98 -1.26 -4.89 118.68 117.57 1zit s LEU 100 Ca 0.67 0.76 -0.15 0.00 -2.89 0.00 0.00 54.13 52.52 1zit s LEU 100 Cb -0.39 -3.18 -0.01 0.00 0.66 0.00 0.00 46.19 43.28 1zit s LEU 100 CO 0.30 -1.83 2.21 -0.62 -1.89 0.00 0.00 176.35 174.53 1zit n GLU 101 N 8.60 2.63 -2.65 1.98 1.02 -1.26 -4.16 120.64 126.80 1zit n GLU 101 Ca 0.19 -2.41 -0.02 0.00 -0.02 0.00 0.00 57.16 54.89 1zit n GLU 101 Cb 0.49 -3.18 0.10 0.00 -0.02 0.00 0.00 31.44 28.83 1zit n GLU 101 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1zit n LYS 102 N 6.09 0.03 -1.41 3.49 5.02 -1.26 -5.01 118.16 125.11 1zit n LYS 102 Ca 0.53 -0.54 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 1zit n LYS 102 Cb 0.38 -0.02 0.20 0.00 -0.02 0.00 0.00 35.03 35.57 1zit n LYS 102 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1zit s PRO 103 N 0.01 -0.18 -1.45 1.97 0.04 -1.26 -2.49 135.00 131.64 1zit s PRO 103 Ca 0.18 -0.07 -0.08 0.00 0.04 0.00 0.00 61.00 61.06 1zit s PRO 103 Cb 0.26 -1.72 0.02 0.00 0.04 0.00 0.00 34.50 33.10 1zit s PRO 103 CO -0.20 -3.02 0.94 1.19 0.04 0.00 0.00 177.00 175.95 1zit n PHE 104 N -4.27 -2.48 0.00 0.56 3.72 -1.26 -4.41 117.46 109.33 1zit n PHE 104 Ca 0.12 0.81 0.00 0.00 -0.05 0.00 0.00 57.45 58.33 1zit n PHE 104 Cb 0.59 -4.68 0.00 0.00 -0.94 0.00 0.00 39.48 34.45 1zit n PHE 104 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1zit n SER 105 N -2.80 0.00 -2.25 4.37 3.41 -1.26 -4.99 113.62 110.10 1zit n SER 105 Ca -0.03 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.57 1zit n SER 105 Cb 0.58 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1zit n SER 105 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1zit n VAL 106 N 0.00 -0.05 -0.05 -3.33 0.24 -1.04 -4.69 118.33 109.41 1zit n VAL 106 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 1zit n VAL 106 Cb 0.00 -0.16 -0.05 0.00 -1.47 0.00 0.00 33.84 32.16 1zit n VAL 106 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1zit h GLU 107 N 0.00 0.29 -0.32 7.34 4.81 -1.92 -2.12 114.58 122.66 1zit h GLU 107 Ca -0.03 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1zit h GLU 107 Cb 0.86 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 1zit h GLU 107 CO 0.03 0.41 0.00 0.00 -0.73 0.00 0.00 179.01 178.73 1zit h ARG 108 N 0.11 0.49 -0.68 1.92 2.47 -1.86 -1.19 114.38 115.64 1zit h ARG 108 Ca 0.06 -0.10 0.08 0.00 -1.26 0.00 0.00 59.98 58.76 1zit h ARG 108 Cb 0.25 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.45 1zit h ARG 108 CO -0.00 0.52 0.45 0.35 0.56 0.00 0.00 179.97 181.85 1zit h PHE 109 N 0.47 0.63 0.13 3.04 3.57 -1.74 -1.86 116.94 121.18 1zit h PHE 109 Ca 0.10 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1zit h PHE 109 Cb 0.30 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1zit h PHE 109 CO 0.01 0.31 -0.19 1.25 -2.23 0.00 0.00 178.31 177.46 1zit h LEU 110 N 0.60 -0.53 -0.75 0.59 6.46 -0.58 0.17 115.31 121.28 1zit h LEU 110 Ca 0.31 0.06 0.01 0.00 -0.12 0.00 0.00 57.88 58.14 1zit h LEU 110 Cb 0.42 0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.51 1zit h LEU 110 CO -0.10 -0.28 0.49 -0.07 -0.62 0.00 0.00 178.44 177.87 1zit h LEU 111 N -0.38 0.86 -0.67 2.25 4.07 -1.38 -2.57 115.31 117.48 1zit h LEU 111 Ca 0.02 -0.02 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 1zit h LEU 111 Cb 0.39 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 1zit h LEU 111 CO -0.09 0.62 0.14 0.74 -1.08 0.00 0.00 178.44 178.77 1zit h THR 112 N 1.01 1.26 -0.74 0.22 2.02 -1.07 -3.16 112.91 112.46 1zit h THR 112 Ca 0.27 -0.99 0.13 0.00 0.77 0.00 0.00 66.41 66.60 1zit h THR 112 Cb -0.12 0.61 -0.14 0.00 -1.74 0.00 0.00 68.15 66.76 1zit h THR 112 CO -0.06 0.38 -0.30 0.40 0.37 0.00 0.00 175.52 176.31 1zit h ILE 113 N 1.02 0.15 -0.36 3.11 1.08 -0.24 0.12 117.51 122.39 1zit h ILE 113 Ca 0.21 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.74 1zit h ILE 113 Cb 0.40 0.15 -0.09 0.00 -3.07 0.00 0.00 36.82 34.21 1zit h ILE 113 CO 0.01 0.00 -0.43 0.50 -0.69 0.00 0.00 178.15 177.54 1zit h LYS 114 N -0.08 -0.34 -0.24 2.37 3.11 -1.56 0.22 116.57 120.05 1zit h LYS 114 Ca 0.31 0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 58.17 1zit h LYS 114 Cb 0.57 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.86 1zit h LYS 114 CO -0.79 -0.23 0.13 1.25 -2.81 0.00 0.00 179.45 177.01 1zit h HIS 115 N -0.35 0.31 -0.92 1.91 2.76 -1.28 -1.99 115.15 115.59 1zit h HIS 115 Ca 0.13 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.32 1zit h HIS 115 Cb 0.59 -0.10 -0.05 0.00 1.55 0.00 0.00 27.41 29.40 1zit h HIS 115 CO -0.60 0.22 0.61 0.00 -1.30 0.00 0.00 177.93 176.86 1zit h ALA 116 N 1.82 1.37 0.00 5.26 0.00 0.19 -0.77 119.26 127.13 1zit h ALA 116 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1zit h ALA 116 Cb 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1zit h ALA 116 CO -0.02 0.57 0.00 1.19 0.00 0.00 0.00 179.25 180.99 1zit n PHE 117 N -4.41 0.61 0.03 0.00 3.01 -0.65 -3.48 117.46 112.57 1zit n PHE 117 Ca 0.11 0.19 0.16 0.00 1.01 0.00 0.00 57.45 58.93 1zit n PHE 117 Cb 0.05 -0.81 0.64 0.00 -0.01 0.00 0.00 39.48 39.35 1zit n PHE 117 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1zit h GLU 118 N 0.00 0.08 0.00 -1.08 4.81 -0.92 0.43 114.58 117.90 1zit h GLU 118 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1zit h GLU 118 Cb 0.59 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1zit h GLU 118 CO 0.00 0.05 0.00 0.39 -0.73 0.00 0.00 179.01 178.72 1zit n GLU 119 N -4.43 0.27 -0.96 1.92 -0.58 -1.23 -3.20 120.64 112.43 1zit n GLU 119 Ca 0.08 0.08 0.02 0.00 -0.42 0.00 0.00 57.16 56.91 1zit n GLU 119 Cb 0.47 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.85 1zit n GLU 119 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1zit n TYR 120 N -1.32 0.00 -0.42 -0.32 9.36 0.12 -5.02 117.16 119.56 1zit n TYR 120 Ca 0.10 -0.24 0.00 0.00 3.32 0.00 0.00 57.90 61.08 1zit n TYR 120 Cb 0.20 -0.08 0.00 0.00 -0.63 0.00 0.00 39.34 38.83 1zit n TYR 120 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53